SCHEMBL9404376

SCHEMBL9404376

N#Cc1ncn2c1nc(N1CCOCC1)c1ccccc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.58
KMT2A Q03164 3/20 0.48
LMNA P02545 2/20 0.48
POLB P06746 2/20 0.46
MEN1 O00255 2/20 0.45
KDM4E B2RXH2 5/20 0.45
MAPT P10636 2/20 0.45
ALDH1A1 P00352 3/20 0.44
HPGD P15428 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
GLA P06280 1/20 0.42
GAA P10253 1/20 0.42
ADORA2A P29274 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
ATM Q13315 1/20 0.42
RXFP1 Q9HBX9 2/20 0.41
PTK2 Q05397 1/20 0.41
TSHR P16473 1/20 0.41
TP53 P04637 1/20 0.41
ALOX15 P16050 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9404413 0.79 KDM4E (0.41) HTTLMNAPOLBKDM4EMAPT
SCHEMBL9404284 0.77 RXFP1 (0.49) HTTKMT2ALMNAPOLBMEN1
SCHEMBL9404296 0.75 HTT (0.44) HTTKMT2ALMNAPOLBMEN1
SCHEMBL7315229 0.72 RXFP1 (0.69) KMT2ALMNAPOLBMEN1KDM4E
SCHEMBL9429909 0.72 ALOX15 (0.42) HTTKMT2ALMNAPOLBMEN1
SCHEMBL7321094 0.72 GABRA1 (0.48) HTTPOLB
SCHEMBL7321007 0.71 HTR4 (0.43) HTTKMT2ALMNAPOLBMEN1
SCHEMBL9404342 0.71 ALDH1A1 (0.40) HTTKMT2ALMNAPOLBMEN1
SCHEMBL31184383 0.68 POLB (0.70) HTTKMT2APOLBKDM4EMAPT
SCHEMBL756466 0.66 MEN1 (0.50) HTTKMT2ALMNAPOLBMEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5371080-A Central nervous system disorders NOVO NORDISK A/S 1994-12-06 US disclosed
EP-0619820-A1 IMIDAZOQUINAZOLINE COMPOUNDS AND THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1994-10-19 EP disclosed
WO-1993013103-A1 IMIDAZOQUINAZOLINE COMPOUNDS AND THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1993-07-08 WO disclosed